4OWK
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Galactosamine Bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.389, 79.832, 148.694 |
Unit cell angles | 90.00, 89.48, 90.00 |
Refinement procedure
Resolution | 37.172 - 2.000 |
R-factor | 0.1592 |
Rwork | 0.158 |
R-free | 0.19050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.233 |
Data reduction software | HKL-2000 (704x) |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.161 | 0.093 | 0.861 |
Total number of observations | 491799 | ||
Number of reflections | 83325 | ||
<I/σ(I)> | 6.2 | ||
Completeness [%] | 95.0 | 99.6 | 68.5 |
Redundancy | 5.9 | 6.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 298 | 100 mM TRIS, pH 8.25, 6% PEG 8000, 2 mM N-acetyl-D-galactosamine: Cryoprotected in 20% glycerol |